1-(5-azanyl-5-oxidanylidene-pentyl)-N-cyclohexyl-N-prop-2-enyl-2-(pyridin-3-ylcarbonylamino)benzimidazole-5-carboxamide

Systemtic Name: 1-(5-azanyl-5-oxidanylidene-pentyl)-N-cyclohexyl-N-prop-2-enyl-2-(pyridin-3-ylcarbonylamino)benzimidazole-5-carboxamide Openeye Name: N-allyl-1-(5-amino-5-oxo-pentyl)-N-cyclohexyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide CAS Name: 1-(5-amino-5-oxopentyl)-N-cyclohexyl-2-[[oxo(3-pyridinyl)methyl]amino]-N-prop-2-enyl-5-benzimidazolecarboxamide IUPAC Name: 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-prop-2-enyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide Traditional Name: N-allyl-1-(5-amino-5-keto-pentyl)-N-cyclohexyl-2-nicotinamido-benzimidazole-5-carboxamide Formula: C28H34N6O3 MolecularWeight: 502.60796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CN=CC=C4)CCCCC(=O)N

Isomeric SMILES

C=CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CN=CC=C4)CCCCC(=O)N

InChI

InChI=1S/C28H34N6O3/c1-2-16-33(22-10-4-3-5-11-22)27(37)20-13-14-24-23(18-20)31-28(34(24)17-7-6-12-25(29)35)32-26(36)21-9-8-15-30-19-21/h2,8-9,13-15,18-19,22H,1,3-7,10-12,16-17H2,(H2,29,35)(H,31,32,36)